BDBM370669 US10238743, Example 44

SMILES COc1cnc2c(Nc3ccc4CCC[C@H]5[C@](C)(NC(=N)N(C)S5(=O)=O)c4c3)nccc2n1

InChI Key InChIKey=WJQUEGMQBAZKLH-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 370669   

TargetBeta-secretase 1(Human)
TBA

US Patent
LigandPNGBDBM370669(US10238743, Example 44)
Affinity DataKi:  45nMAssay Description:A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2019
Entry Details
US Patent

TargetBeta-secretase 2(Human)
TBA

US Patent
LigandPNGBDBM370669(US10238743, Example 44)
Affinity DataKi:  173nMAssay Description:Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2019
Entry Details
US Patent